aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23271 | 6.74 | 1357.1 | C69H51O19N9Cl2 | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(COc3ccccc3)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD23272 | 0.38 | 445.46 | C20H24O4N7F | CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4cn(C)nn4)CC3)c(F)c2)C(=O)O1 |
|
AD23273 | 0.29 | 152.11 | C6H3ON3F | O=c1[nH]cnc2c1C(F)=C[N]2 |
|
AD23274 | 4.34 | 276.76 | C17H17O2Cl | CCOc1ccc(Cc2cccc(OC)c2Cl)cc1 |
|
AD23275 | 5.04 | 316.83 | C20H21O2Cl | CCOc1ccc(Cc2ccc3c(c2Cl)CC(C)(C)O3)cc1 |
|
AD23276 | 5.19 | 328.84 | C21H21O2Cl | Clc1c(Cc2ccc(OC3CCCC3)cc2)ccc2c1OCC2 |
|
AD23277 | 2.32 | 274.27 | C15H14O5 | O=C(CCc1ccc(O)c(O)c1)c1ccc(O)cc1O |
|
AD23278 | 7.41 | 534.65 | C32H38O7 | CCCC=CC=CCCc1cc(OC(=O)c2c(O)cc(O)cc2CCC=CC=CCCC)cc(O)c1C(=O)O |
|
AD23279 | 1.79 | 220.27 | C12H16O2N2 | CC(C)(C)c1ccc(C(=O)NC(N)=O)cc1 |
|
AD23280 | 3.74 | 305.33 | C19H15O3N | CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)O)ccc21 |